2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide

C22H34FN3O2 — CID 55717527

IUPAC2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCCCCN1CCCCC1C
InChIInChI=1S/C22H34FN3O2/c1-16(2)20(25-21(27)18-11-4-5-12-19(18)23)22(28)24-13-7-9-15-26-14-8-6-10-17(26)3/h4-5,11-12,16-17,20H,6-10,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyLRRUHCTUKCLGCQ-UHFFFAOYSA-N
MW391.53 g/mol
LogP3.35
Rot. Bonds9

About 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide

2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 55717527) has the molecular formula C22H34FN3O2 and a molecular weight of 391.53 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
PubChem CID55717527
Molecular FormulaC22H34FN3O2
Molecular Weight391.53 g/mol
Exact Mass391.26
IUPAC Name2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)NCCCCN1CCCCC1C
InChIInChI=1S/C22H34FN3O2/c1-16(2)20(25-21(27)18-11-4-5-12-19(18)23)22(28)24-13-7-9-15-26-14-8-6-10-17(26)3/h4-5,11-12,16-17,20H,6-10,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyLRRUHCTUKCLGCQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2-fluoro-N-[3-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)butan-2-yl]benzamide
CID 119445980
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[1-[[2-(cyclopentylmethyl)-3-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 119040284
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
1-[(2-fluorophenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111264459
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 55941551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide (CID 55717527) is 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)NCCCCN1CCCCC1C.
What is the InChIKey of 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is LRRUHCTUKCLGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O2/c1-16(2)20(25-21(27)18-11-4-5-12-19(18)23)22(28)24-13-7-9-15-26-14-8-6-10-17(26)3/h4-5,11-12,16-17,20H,6-10,13-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 391.53 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55717527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).